SCHEMBL2947217

SCHEMBL2947217

COCCCc1cccc(C=O)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TLR2 O60603 1/20 0.37
ERN1 O75460 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.36
SRC P12931 1/20 0.35
TYMS P04818 1/20 0.35
DAO P14920 1/20 0.34
LMNA P02545 2/20 0.33
KCNJ1 P48048 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14236914 0.85 ALDH1A1 (0.44) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL28323985 0.81 LIPG (0.40) ALDH1A1TSHRLMNAKCNJ1MEN1
SCHEMBL8981378 0.78 ALDH1A1 (0.42) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL30529905 0.78 ESR1 (0.38) ALDH1A1HTTSMN1; SMN2TYMSLMNA
SCHEMBL12760683 0.76 ALDH1A1 (0.41) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL548566 0.75 ALDH1A1 (0.46) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL1200782 0.74 ALDH1A1 (0.47) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL5434859 0.72 ALDH1A1 (0.59) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL8759951 0.72 ALDH1A1 (0.35) ALDH1A1TSHRLMNAKCNJ1MEN1
SCHEMBL6527128 0.72 BACE1 (0.38) ALDH1A1HPGDHTTSMN1; SMN2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754727-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2010-07-13 US disclosed
US-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2008-10-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE ALDH1A1 417/4885HPGD 230/4885HTT 2227/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.